[(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene

C14H13F — CID 89327796

IUPAC[(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene
SMILESF[C@H]1CC=CC=C1/C=C/c1ccccc1
InChIInChI=1S/C14H13F/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-8,10-11,14H,9H2/b11-10+/t14-/m0/s1
InChIKeyOHZAPDNXMSHDSB-VNDWYCCKSA-N
MW200.26 g/mol
LogP3.92
Rot. Bonds2

About [(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene

[(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene (PubChem CID 89327796) has the molecular formula C14H13F and a molecular weight of 200.26 g/mol. Its IUPAC name is [(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene
PubChem CID89327796
Molecular FormulaC14H13F
Molecular Weight200.26 g/mol
Exact Mass200.10
IUPAC Name[(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene
SMILESF[C@H]1CC=CC=C1/C=C/c1ccccc1
InChIInChI=1S/C14H13F/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-8,10-11,14H,9H2/b11-10+/t14-/m0/s1
InChIKeyOHZAPDNXMSHDSB-VNDWYCCKSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 70567885
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CID 70569152
2,3-bis(2-phenylethenyl)-2H-pyran
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stilbene azide
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N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine
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bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);4-phenylbuta-1,3-dienylbenzene;zirconium(2+)
CID 174403588
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101407026
N,N-dimethylmethanamine;stilbene
CID 174368184
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene?
The IUPAC name of [(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene (CID 89327796) is [(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene.
What is the SMILES notation for [(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene?
The canonical SMILES for [(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene is F[C@H]1CC=CC=C1/C=C/c1ccccc1.
What is the InChIKey of [(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene?
The InChIKey is OHZAPDNXMSHDSB-VNDWYCCKSA-N. The full InChI is InChI=1S/C14H13F/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-8,10-11,14H,9H2/b11-10+/t14-/m0/s1.
What are the key properties of [(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene?
[(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene has a molecular weight of 200.26 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene is sourced from PubChem (CID 89327796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).